Magnetism is a phenomenon that has always captured the imagination of humans. Its
discovery in the western world is attributed to the ancient Greek civilization. More than 2500 …

Although the vast majority of high-T c cuprate superconductors are hole-doped, a small
family of electron-doped compounds exists. Underinvestigated until recently, there has been …

The developments of the open-source OpenMolcas chemistry software environment since
spring 2020 are described, with a focus on novel functionalities accessible in the stable …

The spin-½ antiferromagnetic Heisenberg model on a square lattice is used to describe the
dynamics of the spin degrees of freedom of undoped copper oxides. Even though the model …

The authors review the results of a wide variety of experiments on materials such as La 2
CuO 4 and Nd 2 CuO 4 that contain weakly coupled CuO 2 layers. These materials are …

Inelastic light scattering is an intensively used tool in the study of electronic properties of
solids. Triggered by the discovery of high-temperature superconductivity in the cuprates and …

We use inelastic neutron scattering to establish the modulation vectors δ and correlation
lengths for the incommensurate magnetic fluctuations in metallic samples of La 2− x Sr x …

We present a theory of Raman scattering in the Hubbard model. The scattering of light has
two contributions. One gives rise to scattering by spin degrees of freedom in the insulating …

Strong-coupling models for the electronic structure of La 2 CuO 4 are derived from the local-
density-functional results in two successive stages of renormalization. First, a three-band …

Accurate estimates of the magnetic coupling in binuclear complexes can be obtained from
ab initio configuration interaction (CI) calculations using the difference dedicated CI …